(4Z)-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2H-benzotriazole-5,5-dicarboxylic acid

Systemtic Name: (4Z)-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2H-benzotriazole-5,5-dicarboxylic acid Openeye Name: (4Z)-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-benzotriazole-5,5-dicarboxylic acid CAS Name: (4Z)-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-benzotriazole-5,5-dicarboxylic acid IUPAC Name: (4Z)-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-benzotriazole-5,5-dicarboxylic acid Traditional Name: (4Z)-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-2H-benzotriazole-5,5-dicarboxylic acid Formula: C14H9N3O5 MolecularWeight: 299.23836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C3=NNN=C3C=CC2(C(=O)O)C(=O)O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\2/C3=NNN=C3C=CC2(C(=O)O)C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C14H9N3O5/c18-9-4-2-1-3-7(9)10-11-8(15-17-16-11)5-6-14(10,12(19)20)13(21)22/h1-6H,(H,19,20)(H,21,22)(H,15,16,17)/b10-7+